2-ethyl-3-azabicyclo[3.2.1]octane

C9H17N — CID 20522176

IUPAC2-ethyl-3-azabicyclo[3.2.1]octane
SMILESCCC1NCC2CCC1C2
InChIInChI=1S/C9H17N/c1-2-9-8-4-3-7(5-8)6-10-9/h7-10H,2-6H2,1H3
InChIKeyXRCQHBJDFOIIGK-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.78
Rot. Bonds1

About 2-ethyl-3-azabicyclo[3.2.1]octane

2-ethyl-3-azabicyclo[3.2.1]octane (PubChem CID 20522176) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-ethyl-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-ethyl-3-azabicyclo[3.2.1]octane
PubChem CID20522176
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-ethyl-3-azabicyclo[3.2.1]octane
SMILESCCC1NCC2CCC1C2
InChIInChI=1S/C9H17N/c1-2-9-8-4-3-7(5-8)6-10-9/h7-10H,2-6H2,1H3
InChIKeyXRCQHBJDFOIIGK-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-azabicyclo[3.2.1]octane?
The IUPAC name of 2-ethyl-3-azabicyclo[3.2.1]octane (CID 20522176) is 2-ethyl-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2-ethyl-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 2-ethyl-3-azabicyclo[3.2.1]octane is CCC1NCC2CCC1C2.
What is the InChIKey of 2-ethyl-3-azabicyclo[3.2.1]octane?
The InChIKey is XRCQHBJDFOIIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-9-8-4-3-7(5-8)6-10-9/h7-10H,2-6H2,1H3.
What are the key properties of 2-ethyl-3-azabicyclo[3.2.1]octane?
2-ethyl-3-azabicyclo[3.2.1]octane has a molecular weight of 139.24 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 20522176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).